CID 10947217

Chlorohyellazole

Structural Information

Molecular Formula

C₂₀H₁₆ClNO

SMILES

CC1=C(C=C2C3=C(C=CC(=C3)Cl)NC2=C1C4=CC=CC=C4)OC

InChI

InChI=1S/C20H16ClNO/c1-12-18(23-2)11-16-15-10-14(21)8-9-17(15)22-20(16)19(12)13-6-4-3-5-7-13/h3-11,22H,1-2H3

InChIKey

ZIOOMUSPLCJTQR-UHFFFAOYSA-N

Compound name

6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 321.09204 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.09932	175.3
[M+Na]+	344.08126	187.9
[M-H]-	320.08476	182.3
[M+NH4]+	339.12586	193.0
[M+K]+	360.05520	179.3
[M+H-H2O]+	304.08930	167.8
[M+HCOO]-	366.09024	192.0
[M+CH3COO]-	380.10589	187.6
[M+Na-2H]-	342.06671	179.4
[M]+	321.09149	180.5
[M]-	321.09259	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe